RASAGILINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N04BD02
UNII 003N66TS6T
EPA CompTox DTXSID3041112

Structure

InChI Key RUOKEQAAGRXIBM-GFCCVEGCSA-N
Smiles C#CCN[C@@H]1CCc2ccccc21
InChI
InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13N
Molecular Weight 171.24
AlogP 1.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.03
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 19 - - -
Enzyme Oxidoreductase
- 1-830 - 7.6-700 47.91-100
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1.4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6-830 - 1.4-700 47.91-100
Rattus norvegicus
- 1-422 - - -

Cross References

Resources Reference
ChEBI 63620
ChEMBL CHEMBL887
DrugBank DB01367
DrugCentral 3521
FDA SRS 003N66TS6T
Human Metabolome Database HMDB0015454
Guide to Pharmacology 6641
PDB RAU
PharmGKB PA164764584
PubChem 3052776
SureChEMBL SCHEMBL74699
ZINC ZINC000019875504
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